RefChem:239526
TL;DR: RefChem:239526 (CAS 116713-03-2) is a chemical compound with molecular formula C30H42N6O9S2 and molecular weight 694.2455 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione;methanesulfonic acid
Also Known As: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(4-(2-(diphenylmethoxy)ethyl)-1-piperazinyl)ethyl)-, dimethanesulfonate, 7-[2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione; methanesulfonic acid, Methanesulfonic acid--7-(2-{4-[2-(diphenylmethoxy)ethyl]piperazin-1-yl}ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (2/1)
Technical Specifications
| Molecular Formula | C30H42N6O9S2 |
| Molecular Weight | 694.2455 g/mol |
| XLogP | 0.8655 |
| Topological Polar Surface Area (TPSA) | 200.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 694.2455 Da |
| Heavy Atoms | 47 |
| Complexity | 838.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)CCOC(C4=CC=CC=C4)C5=CC=CC=C5.CS(=O)(=O)O.CS(=O)(=O)O |
| InChIKey | AIJUVHCYGIQDJD-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:239526
Property Insights of RefChem:239526
The XLogP value of 0.8655 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:239526. The TPSA of 200.0 Ų indicates high polarity, suggesting RefChem:239526 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:239526 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:239526?
The CAS number of RefChem:239526 is 116713-03-2.
What is the molecular formula of RefChem:239526?
The molecular formula of RefChem:239526 is C30H42N6O9S2.
What is the molecular weight of RefChem:239526?
The molecular weight of RefChem:239526 is 694.2455 g/mol.
Where can I buy RefChem:239526?
You can request a quote for RefChem:239526 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:239526?
Yes, CoreyChem provides custom synthesis services for RefChem:239526 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.